Canonical SMILES: CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(C(=O)NCC(=O)NC2(C(=O)N[C@@H](CCCCN)C(=O)NC3(C(=O)NCC(=O)NC4(C(=O)N[C@@H](Cc5ccccc5)C(=O)NC5(C(=O)NCC(=O)NC6(C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NC7(C(N)=O)CCCCC7)CCCCC6)CCCCC5)CCCCC4)CCCCC3)CCCCC2)CCCCC1
Standard InChI: InChI=1S/C115H187N27O21/c1-78(143)128-82(46-16-36-66-117)95(150)132-84(48-18-38-68-119)97(152)133-83(47-17-37-67-118)96(151)131-81(45-15-35-65-116)94(149)123-73-89(144)130-87(71-79-41-11-2-12-42-79)100(155)141-112(57-27-7-28-58-112)105(160)127-76-92(147)137-114(61-31-9-32-62-114)107(162)134-86(50-20-40-70-121)99(154)140-111(55-25-6-26-56-111)104(159)126-77-93(148)138-115(63-33-10-34-64-115)108(163)135-88(72-80-43-13-3-14-44-80)101(156)142-113(59-29-8-30-60-113)106(161)125-75-91(146)136-110(53-23-5-24-54-110)103(158)124-74-90(145)129-85(49-19-39-69-120)98(153)139-109(102(122)157)51-21-4-22-52-109/h2-3,11-14,41-44,81-88H,4-10,15-40,45-77,116-121H2,1H3,(H2,122,157)(H,123,149)(H,124,158)(H,125,161)(H,126,159)(H,127,160)(H,128,143)(H,129,145)(H,130,144)(H,131,151)(H,132,150)(H,133,152)(H,134,162)(H,135,163)(H,136,146)(H,137,147)(H,138,148)(H,139,153)(H,140,154)(H,141,155)(H,142,156)/t81-,82-,83-,84-,85-,86-,87-,88-/m0/s1
Standard InChI Key: MIIKIHNSZGOKMW-AMSGCXRISA-N
Molfile:
RDKit 2D
163171 0 0 0 0 0 0 0 0999 V2000
1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2990 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7638 9.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4645 9.7357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4639 11.2357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7627 11.9861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0620 11.2366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0625 9.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5641 9.0297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2650 9.7379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2649 11.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5639 11.9880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8630 11.2381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8630 9.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3643 9.0292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0655 9.7378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0659 11.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
23.3651 11.9875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6639 11.2371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6636 9.7371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.1646 9.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.8660 9.7352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
29.8668 11.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
31.1663 11.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.4649 11.2337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.4641 9.7337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9649 9.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.6665 9.7302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.6678 11.2302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9675 11.9790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.2659 11.2279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.2646 9.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.7652 9.0128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.7269 7.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
48.0248 6.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.3249 7.5298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.3272 9.0298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
48.0293 9.7817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.4184 28.5641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
37.7220 29.3078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.0603 29.1498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
39.0192 28.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.7262 30.8086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.4290 31.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.4331 33.0643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.1359 33.8191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.1392 35.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
39.0151 27.0522 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
40.3123 26.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
39.2671 24.1997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
40.3082 24.7965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
41.6159 27.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
42.9123 26.2848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
44.2158 27.0286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
45.5122 26.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.5545 26.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
41.6054 24.0417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
41.6012 22.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
43.9395 22.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
42.8984 21.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.3007 21.7918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.2982 20.2910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9977 19.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
38.9952 18.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
37.9554 17.4421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
42.8943 20.2853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
44.1915 19.5304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
43.1463 17.4328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
44.1873 18.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
45.4951 20.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.7914 19.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
48.0950 20.2617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.3914 19.5054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
50.4337 20.1001 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
45.4845 17.2748 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
45.4804 15.7740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
47.8187 15.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
46.7776 15.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.7735 13.5184 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
48.0707 12.7635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.1067 10.6613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
48.0682 11.2627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
49.3713 13.5126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
51.9717 13.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
50.6707 12.7615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
50.6670 11.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
51.9641 10.5082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
53.2651 11.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
53.2688 12.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
46.7677 10.5136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
45.4628 7.0640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
45.4641 8.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
44.1649 9.0153 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
42.8641 8.2667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
41.5661 10.2180 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
41.5649 9.0180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
40.2641 8.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
37.6632 7.0714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
37.6640 8.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
36.3646 9.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
35.0641 8.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.7655 10.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
33.7646 9.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.0599 6.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.7585 6.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
33.7543 4.5241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.4530 3.7764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
32.4496 2.5764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
32.4641 8.2752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
29.8635 7.0765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
29.8640 8.2765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
28.5643 9.0270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.2640 8.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.9648 10.2281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
25.9643 9.0281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.6640 8.2786 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
22.0638 7.0791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
22.0639 8.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7640 9.0292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
19.4639 8.2793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1641 10.2295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.1640 9.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.4607 6.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1544 4.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.1598 6.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8634 6.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5617 6.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.5563 4.5393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8527 3.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8640 8.2796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
14.2641 7.0792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2639 8.2792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9637 9.0289 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.6639 8.2787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3635 10.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3637 9.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0639 8.2781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4247 8.8770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4638 8.2769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4632 6.7761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1636 6.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2021 3.9245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1630 4.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8634 3.7739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8627 2.2731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5240 2.1225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5631 1.5224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1609 1.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1586 0.0190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4567 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4544 -2.2350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4923 -2.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5625 0.0216 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2238 -2.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2628 -2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3021 -2.8301 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
35.1221 29.3203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
35.1279 30.5203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
34.0798 28.7257 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 6 1 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
7 8 1 0
7 12 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
13 14 1 0
13 18 1 0
14 15 1 0
15 16 1 0
16 17 1 0
17 18 1 0
19 20 1 0
19 24 1 0
20 21 1 0
21 22 1 0
22 23 1 0
23 24 1 0
25 26 1 0
25 30 1 0
26 27 1 0
27 28 1 0
28 29 1 0
29 30 1 0
31 32 1 0
31 36 1 0
32 33 1 0
33 34 1 0
34 35 1 0
35 36 1 0
37 38 1 0
37 42 1 0
38 39 1 0
39 40 1 0
40 41 1 0
41 42 1 0
46 52 1 0
55 61 1 0
64 70 1 0
73 79 1 0
82 83 1 0
86 94 1 0
96 97 1 0
100101 1 0
103104 1 0
107113 1 0
115116 1 0
119120 1 0
122123 1 0
126134 1 0
136137 1 0
140141 1 0
143144 1 0
147148 1 0
151157 1 0
159160 1 0
43 44 1 0
44 46 1 0
46 45 2 0
44 47 1 1
47 48 1 0
48 49 1 0
49 50 1 0
50 51 1 0
52 53 1 0
53 55 1 0
55 54 2 0
53 56 1 1
56 57 1 0
57 58 1 0
58 59 1 0
59 60 1 0
61 62 1 0
62 64 1 0
64 63 2 0
62 65 1 6
65 66 1 0
66 67 1 0
67 68 1 0
68 69 1 0
70 71 1 0
71 73 1 0
73 72 2 0
71 74 1 1
74 75 1 0
75 76 1 0
76 77 1 0
77 78 1 0
79 80 1 0
80 82 1 0
82 81 2 0
83 84 1 0
84 86 1 0
86 85 2 0
84 87 1 1
87 89 1 0
88 89 2 0
89 90 1 0
90 91 2 0
91 92 1 0
92 93 2 0
93 88 1 0
94 37 1 0
37 96 1 0
96 95 2 0
97 98 1 0
98100 1 0
100 99 2 0
101 31 1 0
31103 1 0
103102 2 0
104105 1 0
105107 1 0
107106 2 0
105108 1 1
108109 1 0
109110 1 0
110111 1 0
111112 1 0
113 25 1 0
25115 1 0
115114 2 0
116117 1 0
117119 1 0
119118 2 0
120 19 1 0
19122 1 0
122121 2 0
123124 1 0
124126 1 0
126125 2 0
124127 1 1
127129 1 0
128129 2 0
129130 1 0
130131 2 0
131132 1 0
132133 2 0
133128 1 0
134 13 1 0
13136 1 0
136135 2 0
137138 1 0
138140 1 0
140139 2 0
141 7 1 0
7143 1 0
143142 2 0
144145 1 0
145147 1 0
147146 2 0
148149 1 0
149151 1 0
151150 2 0
149152 1 1
152153 1 0
153154 1 0
154155 1 0
155156 1 0
157 1 1 0
1159 1 0
159158 2 0
43161 1 0
161162 1 0
161163 2 0
M END